Emicerfont - Moligand™,≥98% , Corticotropin releasing factor receptor 1 antagonist, CAS No.786701-13-1, Corticotropin releasing factor receptor 1 antagonist

CAS: 786701-13-1 Cat. No.: E650075 Molecular Weight: 404.46 PubChem CID: 11223423

GRADE & PURITY Moligand™, ≥98%

Synonyms

OJ8EG4264P | A14047 | 1-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one | AKOS000266880 | SCHEMBL2189548 | AKOS040741694 | EMICERFONT [INN] | 1-(1-(1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-d

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Emicerfont is a corticotropin-releasing factor type 1 ( CRF 1 ) receptor antagonist with an IC 50 of 66 nM.

In Vitro

Emicerfont is a corticotropin-releasing factor type 1 (CRF 1 ) receptor antagonist with an IC 50 of 66 nM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

At concentration of 10 mg/kg, Emicerfont reduces i.c.v. CRF-induced gerbil forepaw treading and marmoset defensive postures. Emicerfont also reduces rat pup ultrasonic vocalization at concentration of 30 mg/kg . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IC50: 66 nM (CRF 1 receptor)

Specifications

Synonyms

OJ8EG4264P | A14047 | 1-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2, 3-dihydropyrrolo[2, 3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one | AKOS000266880 | SCHEMBL2189548 | AKOS040741694 | EMICERFONT [INN] | 1-(1-(1-(4-methoxy-2-methylphenyl)-6-methyl-2, 3-d

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Emicerfont is a corticotropin-releasing factor type 1 ( CRF 1 ) receptor antagonist with an IC 50 of 66 nM.

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Corticotropin releasing factor receptor 1 antagonist

Purity

≥98%

Product Properties

• ALogP: 2.9

Names and Identifiers

• Canonical Smiles: CC1=CC(=C2CCN(C2=N1)C3=C(C=C(C=C3)OC)C)N4C=CC(=N4)N5CCNC5=O
• IUPAC Name: 1-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one
• InChIKey: JFHJGXQFESYQGY-UHFFFAOYSA-N
• INCHI: 1S/C22H24N6O2/c1-14-12-16(30-3)4-5-18(14)26-9-6-17-19(13-15(2)24-21(17)26)28-10-7-20(25-28)27-11-8-23-22(27)29/h4-5,7,10,12-13H,6,8-9,11H2,1-3H3,(H,23,29)
• Isomeric SMILES: CC1=CC(=C2CCN(C2=N1)C3=C(C=C(C=C3)OC)C)N4C=CC(=N4)N5CCNC5=O
• Alternate CAS: 786701-13-1
• PubChem CID: 11223423
• MeSH Entry Terms: GW 876008;GW-876008;GW876008
• Molecular Weight: 404.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Alkyldiarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Alkyldiarylamines
• Alternative Parents: Methoxyanilines Pyrrolopyridines Anisoles Methoxybenzenes Phenoxy compounds Methylpyridines Alkyl aryl ethers Toluenes Imidolactams Imidazolidinones Heteroaromatic compounds Pyrazoles Ureas Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyldiarylamine - Methoxyaniline - Pyrrolopyridine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Methylpyridine - Toluene - Monocyclic benzene moiety - Imidazolidinone - Pyridine - Imidolactam - Benzenoid - Azole - Imidazolidine - Heteroaromatic compound - Pyrazole - Urea - Ether - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyldiarylamines. These are tertiary alkylarylamines having two aryl and one alkyl groups attached to the amino group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CRHR1 Tclin Corticotropin-releasing factor receptor 1 (2 Activities)

Discover Target: CRHR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CRHR1 Tclin Corticotropin releasing factor receptor 1 (2996 Activities)

Discover Target: CRHR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CRHR2 Tchem Corticotropin releasing factor receptor 2 (399 Activities)

Discover Target: CRHR2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Meriones unguiculatus (417 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DCM : ≥ 16.67 mg/mL (41.22 mM)
• Sensitivity: Moisture sensitive，light sensitive
• Molecular Weight: 404.500 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 404.196 Da
• Monoisotopic Mass: 404.196 Da
• Topological Polar Surface Area: 75.500 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 635.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1